Evidence for Magnetic Polarons in Hole-Doped Cobalt Perovskites

2010 ◽  
Vol 1256 ◽  
Author(s):  
Andrey Podlesnyak ◽  
Albert Furrer ◽  
Thierry Straessle ◽  
Ekaterina Pomjakushina ◽  
Kazimierz Conder ◽  
...  
Keyword(s):  
Spin State ◽  
Ground State ◽  
Magnetic Impurities ◽  
Natural Analog ◽  
Magnetic Polarons ◽  
Intermediate Spin ◽  
Nonmagnetic Matrix ◽  
Very High ◽  
Ferromagnetic Particles ◽  
Spin Ground State

AbstractA substitution of La3+ by Sr2+ in LaCoO3 induces holes in the low-spin ground state of the Co ions, which behave like magnetic impurities with a very high spin value (13 μB per hole). In this work, using single-crystal neutron spectroscopy, we prove that the charges introduced by strontium doping do not remain localized at the cobalt sites. Instead, each hole not only creates Co4+ in low-spin state, but it also transforms the six nearest neighboring Co3+ ions to the intermediate-spin state thereby forming a magnetic seven-site (heptamer) polaron. Spin-state polarons behave like magnetic nanoparticles embedded in an insulating nonmagnetic matrix. Therefore, lightly doped La1-xSrxCoO3 is a natural analog to artificial structures composed of ferromagnetic particles in insulating matrices.

Possibility for an intermediate-spin ground state in the charge-transfer materialSrCoO3

1995 ◽  
Vol 51 (17) ◽  
pp. 11501-11506 ◽  
Author(s):  
R. H. Potze ◽  
G. A. Sawatzky ◽  
M. Abbate
Keyword(s):  
Charge Transfer ◽  
Ground State ◽  
Intermediate Spin ◽  
Spin Ground State

Intermediate spin ground state of an isosceles triangular [MnII3] complex

2009 ◽  
pp. 8162 ◽  
Author(s):  
Sima Haddadpour ◽  
Heiko Niedermeyer ◽  
Rodolphe Clérac ◽  
Stefanie Dehnen
Keyword(s):  
Ground State ◽  
Intermediate Spin ◽  
Spin Ground State

A Strongly Spin-Frustrated FeIII7Complex with a Canted Intermediate Spin Ground State ofS=7/2 or 9/2

2015 ◽  
Vol 21 (30) ◽  
pp. 10835-10842 ◽  
Author(s):  
Kartik Chandra Mondal ◽  
Valeriu Mereacre ◽  
George E. Kostakis ◽  
Yanhua Lan ◽  
Christopher E. Anson ◽  
...  
Keyword(s):  
Ground State ◽  
Intermediate Spin ◽  
Spin Ground State

scholarly journals Spin state relaxation of iron complexes: The case for OPBE and S12g

2015 ◽  
Vol 80 (11) ◽  
pp. 1399-1410 ◽  
Author(s):  
Maja Gruden ◽  
Stepan Stepanovic ◽  
Marcel Swart
Keyword(s):  
Density Functional Theory ◽  
Transition Metal ◽  
Spin State ◽  
Validation Study ◽  
Ground State ◽  
Density Functional ◽  
Iron Complexes ◽  
Functional Theory ◽  
Overall Performance ◽  
Spin Ground State

The structures of nine iron complexes that show a diversity of experimentally observed spin ground states are optimized and analyzed with Density Functional Theory (DFT). An extensive validation study of the new S12g functional is performed, with the discussion concerning the influence of the environment, geometry and its overall performance based on the comparison with the well proven OPBE functional. The OPBE and S12g functionals give the correct spin ground state for all investigated iron complexes. Since S12g performs remarkably well it can be considered a reliable tool for studying spin state energetics in complicated transition metal systems.

Light induced excited spin state trapping in the binuclear spin crossover compound [Fe(bpym)(NCS)2]2(bpym) exhibiting a high-spin ground state

2008 ◽  
Vol 456 (4-6) ◽  
pp. 215-219 ◽  
Author(s):  
S. Mouri ◽  
N. Ould Moussa ◽  
G. Molnár ◽  
J.A. Real ◽  
A.B. Gaspar ◽  
...  
Keyword(s):  
High Spin ◽  
Spin State ◽  
Ground State ◽  
Spin Crossover ◽  
Spin Ground State

MO-Theoretical Studies on a Model Complex for Deoxymyoglobin

1998 ◽  
Vol 53 (9) ◽  
pp. 755-765
Author(s):  
Christian Kollma ◽  
Sighart F. Fischer ◽  
Michael C. Böhm
Keyword(s):  
High Spin ◽  
Ground State ◽  
High Spin State ◽  
Open Shell ◽  
Spin States ◽  
Hartree Fock ◽  
Intermediate Spin ◽  
Model Complex ◽  
Out Of Plane ◽  
Overlap Method

AbstractThe origin of the displacement of the Fe atom in deoxymyoglobin with respect to the porphyrin plane in the high-spin state is examined by a qualitative molecular orbital (MO) analysis on the extended Hückel level. We find that attachment of a fifth ligand (imidazole in our model complex) to Fe(II)porphyrin favors the out-of-plane shift due to a strengthening of the bonding interaction between Fe and the nitrogen of the imidazole ligand. This results in a high-spin (5 = 2) ground state with Fe shifted out-of-plane for the five-coordinate complex instead of an intermediate spin ground state (5 = 1) with Fe lying in the plane for four-coordinate Fe(II)porphyrin. The relative energies of the different spin states as a function of the distance between Fe and the porphyrin plane are evaluated using an ROHF (restricted open shell Hartree-Fock) version of an INDO (intermediate neglect of differential overlap) method. We observe a level crossing between high-spin and intermediate spin states whereas the low-spin (5 = 0) state remains always higher in energy.

scholarly journals Excitonic dispersion of the intermediate spin state in LaCoO3 revealed by resonant inelastic x-ray scattering

2018 ◽  
Vol 98 (3) ◽  
Author(s):  
Ru-Pan Wang ◽  
Atsushi Hariki ◽  
Andrii Sotnikov ◽  
Federica Frati ◽  
Jun Okamoto ◽  
...  
Keyword(s):  
Spin State ◽  
X Ray ◽  
X Ray Scattering ◽  
Intermediate Spin ◽  
Intermediate Spin State ◽  
Ray Scattering

DFT Computational Rationalization of an Unusual Spin Ground State in an Mn12 Single-Molecule Magnet with a Low-Symmetry Loop Structure

2005 ◽  
Vol 117 (6) ◽  
pp. 919-923 ◽  
Author(s):  
Dolos Foguet-Albiol ◽  
Ted A. O'Brien ◽  
Wolfgang Wernsdorfer ◽  
Brian Moulton ◽  
Michael J. Zaworotko ◽  
...  
Keyword(s):  
Single Molecule ◽  
Ground State ◽  
Loop Structure ◽  
Single Molecule Magnet ◽  
Low Symmetry ◽  
Spin Ground State
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